Effect of pressure on soot formation in the pyrolysis of n-hexane and the oxidation of fuel-rich mixtures of n-heptane behind reflected shock waves
详细信息 查看全文
- 作者：P. A. Vlasov ; V. N. Smirnov ; A. M. Tereza…
- 关键词：soot particles ; pyrolysis and oxidation of hydrocarbons ; shock waves ; chemical kinetics ; numerical simulations
- 刊名：Russian Journal of Physical Chemistry B
- 出版年：2016
- 出版时间：November 2016
- 年：2016
- 卷：10
- 期：6
- 页码：912-921
- 全文大小：
- 刊物类别：Chemistry and Materials Science
- 刊物主题：Physical Chemistry;
- 出版者：Pleiades Publishing
- ISSN：1990-7923
- 卷排序：10
文摘
The results of detailed kinetic simulations of the formation of soot particles in the pyrolysis of n-hexane–argon mixtures and in the oxidation of fuel-rich (φ = 5) n-heptane–oxygen–argon mixtures behind reflected shock waves at pressures of 20–100 bar and a constant concentration of carbon atoms or a constant fraction of argon in the initial mixture within the framework of a modified reaction mechanism are reported. The choice of n-hexane and n-heptane for examining the effect of pressure on the process of soot formation was motivated by the availability for these hydrocarbons of experimental measurements in reflected shock waves at high pressures (up to ~100 bar). The temperature dependences of the yield of soot particles formed in the pyrolysis of n-hexane are found to be very weakly dependent on pressure and slightly shifting to lower temperatures with increasing pressure. In general, pressure produces a very weak effect on the soot formation in the pyrolysis of n-hexane. The effect of pressure and concentration of carbon atoms in the initial mixture on the process of soot formation during the oxidation of fuel-rich n-heptane mixtures behind reflected shock waves is studied. The results of our kinetic simulations show that, for both the pyrolysis of n-hexane and the oxidation of fuel-rich n-heptane–oxygen mixtures, the influence of pressure on the process of soot formation is negligible. By contrast, the concentration of carbon atoms in the initial reaction mixture produces a much more pronounced effect.